2-[1-(4-tert-butylphenyl)-3-(3,4-dichlorophenyl)pyrazol-4-yl]ethanoic acid

Systemtic Name: 2-[1-(4-tert-butylphenyl)-3-(3,4-dichlorophenyl)pyrazol-4-yl]ethanoic acid Openeye Name: 2-[1-(4-tert-butylphenyl)-3-(3,4-dichlorophenyl)pyrazol-4-yl]acetic acid CAS Name: 2-[1-(4-tert-butylphenyl)-3-(3,4-dichlorophenyl)-4-pyrazolyl]acetic acid IUPAC Name: 2-[1-(4-tert-butylphenyl)-3-(3,4-dichlorophenyl)pyrazol-4-yl]acetic acid Traditional Name: 2-[1-(4-tert-butylphenyl)-3-(3,4-dichlorophenyl)pyrazol-4-yl]acetic acid Formula: C21H20Cl2N2O2 MolecularWeight: 403.3017

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=C(C=C3)Cl)Cl)CC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=C(C=C3)Cl)Cl)CC(=O)O

InChI

InChI=1S/C21H20Cl2N2O2/c1-21(2,3)15-5-7-16(8-6-15)25-12-14(11-19(26)27)20(24-25)13-4-9-17(22)18(23)10-13/h4-10,12H,11H2,1-3H3,(H,26,27)